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Impurities and reference standards

Piperacillinylampicillin

Also known as N-Piperacillinyl Ampicillin, Piperacillin sodium impurity d, Piperacillin EP Impurity D, Piperacillin Sodium EP Impurity D

CAS 65772-67-0Formula C39H44N8O10S2Molar mass 848.96 g/mol
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Piperacillinylampicillin chemical structure, C39H44N8O10S2, CAS 65772-67-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65772-67-0
Formula
C39H44N8O10S2
Molar mass
848.96 g/mol
HS code
294110
Category
Impurities and reference standards

What is Piperacillinylampicillin?

Plain description, key identifiers and synonyms

Piperacillinylampicillin is a chemical substance with the molecular formula C39H44N8O10S2 and a molar mass of 848.96 g/mol. Its CAS registry number is 65772-67-0. The IUPAC name is (2S,5R,6R)-6-[[(2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6R)-6-[[(2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
65772-67-0
Molecular formula
C39H44N8O10S2
UNII
EJ9J08QB0Y
InChIKey
DPEZDVKIJPAEMF-SAJYMXHHSA-N
InChI
InChI=1S/C39H44N8O10S2/c1-6-44-17-18-45(33(54)32(44)53)37(57)43-22(20-15-11-8-12-16-20)28(49)42-23-30(51)46-25(38(2,3)58-34(23)46)29(50)40-21(19-13-9-7-10-14-19)27(48)41-24-31(52)47-26(36(55)56)39(4,5)59-35(24)47/h7-16,21-26,34-35H,6,17-18H2,1-5H3,(H,40,50)(H,41,48)(H,42,49)(H,43,57)(H,55,56)/t21-,22-,23-,24-,25+,26+,34-,35-/m1/s1
Canonical SMILES
CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)c2ccccc2)C(=O)C1=O
Isomeric SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)N[C@H](C5=CC=CC=C5)C(=O)N[C@H]6[C@@H]7N(C6=O)[C@H](C(S7)(C)C)C(=O)O

Synonyms

  • N-Piperacillinyl Ampicillin
  • Piperacillin sodium impurity d
  • Piperacillin EP Impurity D, Piperacillin Sodium EP Impurity D

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
848.96 g/molcalc.
Exact mass
848.2622 Dacalc.
LogP (octanol/water)
0.16calc.
Topological polar surface area
234.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
11calc.
Heavy atoms
59calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NCCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)NC(C(=O)NC4C(=O)N5CCSC45)c4ccccc4)CSC23)c2ccccc2)C1=O

O=C1NCCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)NC(C(=O)NC4C(=O)N5CCSC45)c4ccccc4)CSC23)c2ccccc2)C1=O

7 rings, 50 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Piperacillinylampicillin suppliers

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Piperacillinylampicillin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Piperacillinylampicillin is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Piperacillinylampicillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Piperacillinylampicillin, based on the data on this page

What is Piperacillinylampicillin?

Piperacillinylampicillin is a chemical substance with the molecular formula C39H44N8O10S2 and a molar mass of 848.96 g/mol. Its CAS registry number is 65772-67-0.

What is the CAS number of Piperacillinylampicillin?

The CAS registry number of Piperacillinylampicillin is 65772-67-0.

What is the molecular formula and weight of Piperacillinylampicillin?

The molecular formula of Piperacillinylampicillin is C39H44N8O10S2 and its molar mass is 848.96 g/mol.

Is Piperacillinylampicillin hazardous?

No GHS hazard classification for Piperacillinylampicillin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Piperacillinylampicillin?

Piperacillinylampicillin is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Piperacillinylampicillin?

Post a free request on CompoundList and suppliers of Piperacillinylampicillin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Piperacillinylampicillin?

Suppliers quote Piperacillinylampicillin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Piperacillinylampicillin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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